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Hakan Kayi, Timothy Clark

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AM1* parameters for cobalt and nickel

Year: 2009 • Source: hal.science • Listed PDF

We report the parameterization of AM1* for the elements Co and Ni. The basis sets for both metals contain one set each of and -orbitals. AM1* parameters are now available for H, C, N, O and F (which use the original AM1 ...